REMARK Name = BDB037569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.932 -2.733 -0.895 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.985 -1.679 0.030 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.094 -1.255 0.800 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.410 -0.214 1.642 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.725 -0.047 1.407 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.412 -1.979 0.679 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.572 -2.418 -0.800 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.042 -0.886 0.405 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.344 -3.231 -1.250 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.482 -4.203 -1.999 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 0.271 0.601 2.686 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -0.548 1.363 3.543 0.00 0.00 -0.278 N ATOM 13 C LIG 1 0.034 1.792 4.827 0.00 0.00 +0.193 C ATOM 14 C LIG 1 0.916 3.051 4.633 0.00 0.00 +0.118 C ATOM 15 N LIG 1 0.371 4.055 3.676 0.00 0.00 -0.312 NA ATOM 16 H LIG 1 0.872 3.937 2.791 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -1.065 3.827 3.430 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -1.385 2.398 2.915 0.00 0.00 +0.124 C ATOM 19 O LIG 1 1.490 0.611 2.835 0.00 0.00 -0.268 OA BRANCH 13 20 ATOM 20 C LIG 1 0.734 0.735 5.593 0.00 0.00 +0.086 C ATOM 21 N LIG 1 1.257 -0.086 6.229 0.00 0.00 -0.195 NA ENDBRANCH 13 20 ENDBRANCH 4 11 BRANCH 8 22 ATOM 22 C LIG 1 -3.400 -0.786 -0.117 0.00 0.00 +0.114 C ATOM 23 C LIG 1 -3.797 0.653 -0.504 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -5.310 0.836 -0.478 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -5.949 -0.396 -0.799 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -5.815 -1.366 0.241 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -4.419 -1.381 0.857 0.00 0.00 +0.055 C ENDBRANCH 8 22 BRANCH 7 28 ATOM 28 N LIG 1 1.732 -1.304 -1.748 0.00 0.00 -0.299 N ATOM 29 H LIG 1 0.912 -0.750 -1.955 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 2.963 -0.909 -2.215 0.00 0.00 +0.245 C ATOM 31 O LIG 1 4.021 -1.424 -1.880 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 2.963 0.240 -3.159 0.00 0.00 +0.037 A ATOM 33 C LIG 1 4.060 1.113 -3.150 0.00 0.00 +0.025 A ATOM 34 C LIG 1 4.109 2.205 -4.031 0.00 0.00 +0.056 A ATOM 35 C LIG 1 3.038 2.410 -4.917 0.00 0.00 +0.012 A ATOM 36 C LIG 1 1.955 1.531 -4.941 0.00 0.00 +0.001 A ATOM 37 C LIG 1 1.918 0.444 -4.067 0.00 0.00 +0.013 A BRANCH 34 38 ATOM 38 C LIG 1 5.273 3.167 -4.011 0.00 0.00 +0.417 C ATOM 39 F LIG 1 4.994 4.293 -3.296 0.00 0.00 -0.166 F ATOM 40 F LIG 1 6.404 2.644 -3.466 0.00 0.00 -0.166 F ATOM 41 F LIG 1 5.623 3.595 -5.257 0.00 0.00 -0.166 F ENDBRANCH 34 38 ENDBRANCH 30 32 ENDBRANCH 7 28 BRANCH 6 42 ATOM 42 C LIG 1 2.671 -1.318 1.179 0.00 0.00 -0.001 C ATOM 43 C LIG 1 3.947 -2.124 1.310 0.00 0.00 +0.004 C ATOM 44 C LIG 1 3.240 -1.653 2.542 0.00 0.00 +0.004 C ENDBRANCH 6 42 BRANCH 1 46 ATOM 45 C LIG 1 -2.371 -3.030 -2.891 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -2.070 -3.454 -1.459 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 8